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CHEMDIV-ZINC04760137

 MMsINC code: MMs00948082
Type: Neutral
Formula: C24H30N2O4S
SMILES:   s1cccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)NC1CCCCCC1
InChI:   InChI=1/C24H30N2O4S/c1-26-22(20-11-8-12-31-20)21(23(27)25-15-9-6-4-5-7-10-15)16-13-18(29-2)19(30-3)14-17(16)24(26)28/h8,11-15,21-22H,4-7,9-10H2,1-3H3,(H,25,27)/t21-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.58 g/mol  logS: -5.31771  SlogP: 4.6103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230385  Sterimol/B1: 2.80412  Sterimol/B2: 3.84143  Sterimol/B3: 6.46304
  Sterimol/B4: 9.28007  Sterimol/L: 15.7292 
 
 Surface and Volume Properties
  Accessible surface: 684.855  Positive charged surface: 512.261  Negative charged surface: 172.594  Volume: 418.625
  Hydrophobic surface: 621.477  Hydrophilic surface: 63.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.